BioLiP

PDB

BioLiP

PDB CCD ID:

ZQ0

Number of entries in BioLiP:

Chemical formula:

C15 H23 N3 O3

InChI:

InChI=1S/C15H23N3O3/c1-3-4-7-16-15(20)18-10-8-17(9-11-18)14(19)13-6-5-12(2)21-13/h5-6H,3-4,7-11H2,1-2H3,(H,16,20)

InChIKey:

PXQNPAFJUFSQDI-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CCCCNC(=O)N1CCN(CC1)C(=O)c2oc(C)cc2
ACDLabs 12.01	Cc1ccc(o1)C(=O)N1CCN(CC1)C(=O)NCCCC
OpenEye OEToolkits 2.0.7	CCCCNC(=O)N1CCN(CC1)C(=O)c2ccc(o2)C

Name:

N-butyl-4-(5-methylfuran-2-carbonyl)piperazine-1-carboxamide

Reference:

Chengxin Zhang, Xi Zhang, Lydia Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).

Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).